Vitas-M small molecule compound
5-amino-3-[(Z)-2-{2-bromo-4-[(2,4-dichlorobenzyl)oxy]-5-methoxyphenyl}-1-cyanoethenyl]-1-phenyl-1H-pyrazole-4-carbonitrile
Catalog ID
STK673488
SMILES N#C/C(=C\c1cc(OC)c(cc1Br)OCc1ccc(cc1Cl)Cl)/c1nn(c(c1C#N)N)c1ccccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H18BrCl2N5O2 MW 595.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18BrCl2N5O2/c1-36-24-10-17(22(28)12-25(24)37-15-16-7-8-19(29)11-23(16)30)9-18(13-31)26-21(14-32)27(33)35(34-26)20-5-3-2-4-6-20/h2-12H,15,33H2,1H3/b18-9+InChIKey
VECCMXGGXCDTAM-GIJQJNRQSA-NSynonyms
5amino3((Z)2(2bromo4((24dichlorobenzyl)oxy)5methoxyphenyl)1cyanoethenyl)1phenyl1Hpyrazole4carbonitrile
5AMINO3((Z)2(2BROMO4((24DICHLOROPHENYL)METHOXY)5METHOXYPHENYL)1CYANOETHENYL)1PHENYLPYRAZOLE4CARBONITRILE
5AMINO3(2(2BROMO4((24DICHLOROBENZYL)OXY)5METHOXYPHENYL)1CYANOVINYL)1PHENYL1HPYRAZOLE4CARBONITRILE
COC1=C(C=C(C(=C1)C=C(C#N)C2=NN(C(=C2C#N)N)C3=CC=CC=C3)Br)OCC4=C(C=C(C=C4)Cl)Cl
InChI=1SC27H18BrCl2N5O2c136241017(22(28)1225(24)3715167819(29)1123(16)30)918(1331)2621(1432)27(33)35(3426)205324620h212H1533H21H3b189+
MFCD01029814
N#CC(=Cc1cc(OC)c(cc1Br)OCc1ccc(cc1Cl)Cl)c1nn(c(c1C#N)N)c1ccccc1
ZINC000098023344
ZINC98023344
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